UCSF

ZINC28257496

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 24 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.60 3.02 -114.1 0 6 -2 96 407.3 5
Mid Mid (pH 6-8) 3.60 2.99 -41.54 1 6 -1 94 408.308 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )